C.I.直接红225
2,7-naphthalenedisulfonic acid, 4-hydroxy-5-((4-((5-hydroxy-6-((4-methoxy-2-sulfophenyl)azo)-7-sulfo-2-naphthalenyl)amino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl)amino)-3-((2-sulfophenyl)azo)-, pentasodium salt · CAS 2184-15-8
- 中文名
- C.I.直接红225
- 中文别名
- 暂无
- 英文名
- 2,7-naphthalenedisulfonic acid, 4-hydroxy-5-((4-((5-hydroxy-6-((4-methoxy-2-sulfophenyl)azo)-7-sulfo-2-naphthalenyl)amino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl)amino)-3-((2-sulfophenyl)azo)-, pentasodium salt
- CAS
- 2184-15-8
- CID
- 135570980
- IUPAC 名称
- pentasodium;4-hydroxy-5-[[4-[[5-hydroxy-6-[(4-methoxy-2-sulfonatophenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
名称与编号
- 中文名
- C.I.直接红225
- 中文别名
- 暂无
- 英文名
- 2,7-naphthalenedisulfonic acid, 4-hydroxy-5-((4-((5-hydroxy-6-((4-methoxy-2-sulfophenyl)azo)-7-sulfo-2-naphthalenyl)amino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl)amino)-3-((2-sulfophenyl)azo)-, pentasodium salt
- CAS
- 2184-15-8
- CID
- 135570980
- IUPAC 名称
- pentasodium;4-hydroxy-5-[[4-[[5-hydroxy-6-[(4-methoxy-2-sulfonatophenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
分子属性
- 分子式
- C40H29N10Na5O19S5
- 分子量
- 1229 g/mol
- 精确质量
- 1227.970246 Da
- 单同位素质量
- 1227.970246 Da
- XLogP
- 暂无
- 极性表面积
- 502 Ų
- 氢键供体
- 4
- 氢键受体
- 29
- 可旋转键
- 10
- 重原子数
- 79
- 净电荷
- 0
- 结构复杂度
- 2510
结构标识
- InChIKey
- MZCYQFGVCVZZLQ-UHFFFAOYSA-I
- SMILES
- COC1=CC(=C(C=C1)N=NC2=C(C=C3C=C(C=CC3=C2O)NC4=NC(=NC(=N4)N5CCOCC5)NC6=C7C(=CC(=C6)S(=O)(=O)[O-])C=C(C(=C7O)N=NC8=CC=CC=C8S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
- InChI
- InChI=1S/C40H34N10O19S5.5Na/c1-68-23-7-9-27(30(18-23)72(59,60)61)47-48-34-31(73(62,63)64)16-20-14-22(6-8-25(20)36(34)51)41-38-43-39(45-40(44-38)50-10-12-69-13-11-50)42-28-19-24(70(53,54)55)15-21-17-32(74(65,66)67)35(37(52)33(21)28)49-46-26-4-2-3-5-29(26)71(56,57)58;;;;;/h2-9,14-19,51-52H,10-13H2,1H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H2,41,42,43,44,45);;;;;/q;5*+1/p-5